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.alpha.-[4'(S)-Hex-5'-en-1'-yn-4'-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-D-mannopyranoside
SpectraBase Compound ID A33ZiiMQ7ua
InChI InChI=1S/C18H23IO8/c1-6-8-13(7-2)26-18-15(19)17(25-12(5)22)16(24-11(4)21)14(27-18)9-23-10(3)20/h1,7,13-18H,2,8-9H2,3-5H3/t13-,14-,15+,16-,17-,18+/m1/s1
InChIKey VEUUPONDWLOSKS-PNVOZDDCSA-N
Mol Weight 494.28 g/mol
Molecular Formula C18H23IO8
Exact Mass 494.043763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtJC2GvnOdN
Name .alpha.-[4'(S)-Hex-5'-en-1'-yn-4'-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-D-mannopyranoside
Alternate Name(s) Acetic acid (2R,3R,4S,5S,6S)-4-acetoxy-2-acetoxymethyl-5-iodo-6-((S)-1-vinyl-but-3-ynyloxy)-tetrahydro-pyran-3-yl ester acetic acid [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[(3S)-hex-1-en-5-yn-3-yl]oxy-5-iodo-2-oxanyl]methyl ester [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[(3S)-hex-1-en-5-yn-3-yl]oxy-5-iodooxan-2-yl]methyl acetate [(2R,3R,4S,5S,6S)-3,4-diacetoxy-5-iodo-6-[(1S)-1-vinylbut-3-ynoxy]tetrahydropyran-2-yl]methyl acetate [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[(3S)-hex-1-en-5-yn-3-yl]oxy-5-iodanyl-oxan-2-yl]methyl ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H23IO8
InChI InChI=1S/C18H23IO8/c1-6-8-13(7-2)26-18-15(19)17(25-12(5)22)16(24-11(4)21)14(27-18)9-23-10(3)20/h1,7,13-18H,2,8-9H2,3-5H3/t13-,14-,15+,16-,17-,18+/m1/s1
InChIKey VEUUPONDWLOSKS-PNVOZDDCSA-N
Molecular Weight 494.278 g/mol
SMILES [C@@]1([C@@]([C@@](O[C@](C=C)(CC#C)[H])(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(I)[H])(OC(=O)C)[H]
SPLASH splash10-0002-0009100000-310dce44c7c20e22c0ff
Source of Spectrum F-53-8411-0
Wiley ID 802629